2,3-bis(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;prop-1-ene;6,6,7-trimethyl-7-prop-1-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene

C35H60 — CID 144605888

IUPAC2,3-bis(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;prop-1-ene;6,6,7-trimethyl-7-prop-1-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
SMILESC=C(C)C1(C)CC2CCCCC2CC1(C)C.C=C(C)C1CC2CCCCC2CC1C(=C)C.C=CC
InChIInChI=1S/C16H28.C16H26.C3H6/c1-12(2)16(5)11-14-9-7-6-8-13(14)10-15(16,3)4;1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4;1-3-2/h13-14H,1,6-11H2,2-5H3;13-16H,1,3,5-10H2,2,4H3;3H,1H2,2H3
InChIKeyYXPFYVLSSRBFJX-UHFFFAOYSA-N
MW480.87 g/mol
LogP11.36
Rot. Bonds3

About 2,3-bis(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;prop-1-ene;6,6,7-trimethyl-7-prop-1-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene

2,3-bis(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;prop-1-ene;6,6,7-trimethyl-7-prop-1-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene (PubChem CID 144605888) has the molecular formula C35H60 and a molecular weight of 480.87 g/mol. Its IUPAC name is 2,3-bis(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;prop-1-ene;6,6,7-trimethyl-7-prop-1-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene.

Molecular Properties

Compound Name2,3-bis(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;prop-1-ene;6,6,7-trimethyl-7-prop-1-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
PubChem CID144605888
Molecular FormulaC35H60
Molecular Weight480.87 g/mol
Exact Mass480.47
IUPAC Name2,3-bis(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;prop-1-ene;6,6,7-trimethyl-7-prop-1-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
SMILESC=C(C)C1(C)CC2CCCCC2CC1(C)C.C=C(C)C1CC2CCCCC2CC1C(=C)C.C=CC
InChIInChI=1S/C16H28.C16H26.C3H6/c1-12(2)16(5)11-14-9-7-6-8-13(14)10-15(16,3)4;1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4;1-3-2/h13-14H,1,6-11H2,2-5H3;13-16H,1,3,5-10H2,2,4H3;3H,1H2,2H3
InChIKeyYXPFYVLSSRBFJX-UHFFFAOYSA-N
XLogP11.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.87
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,3-bis(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;prop-1-ene;6,6,7-trimethyl-7-prop-1-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene with MolForge

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Related Compounds

2-ethyl-3-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 123725309
2-prop-1-en-2-ylbicyclo[9.7.0]octadecane
CID 123413845
2-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 90735344
cis-(1R,2R)-2-prop-1-en-2-ylcyclohexane-1-carbaldehyde
CID 102109585
1,1,2-trimethyl-2-prop-1-en-2-ylcyclopropane
CID 123266453
3-cyclopropyl-1-prop-1-en-2-ylcyclohexan-1-ol
CID 79189480
trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane
CID 163550244
trans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde
CID 131160822
(1S,2S,4R,5S)-1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol
CID 130990108
cyclohexanol;prop-1-ene
CID 174901764
2-prop-1-en-2-ylcyclododecan-1-ol
CID 141054945
[(1R,5S,6S)-3-(hydroxymethyl)-6-prop-1-en-2-yl-3-bicyclo[3.2.0]heptanyl]methanol
CID 138974815

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;prop-1-ene;6,6,7-trimethyl-7-prop-1-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
The IUPAC name of 2,3-bis(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;prop-1-ene;6,6,7-trimethyl-7-prop-1-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene (CID 144605888) is 2,3-bis(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;prop-1-ene;6,6,7-trimethyl-7-prop-1-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene.
What is the SMILES notation for 2,3-bis(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;prop-1-ene;6,6,7-trimethyl-7-prop-1-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
The canonical SMILES for 2,3-bis(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;prop-1-ene;6,6,7-trimethyl-7-prop-1-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene is C=C(C)C1(C)CC2CCCCC2CC1(C)C.C=C(C)C1CC2CCCCC2CC1C(=C)C.C=CC.
What is the InChIKey of 2,3-bis(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;prop-1-ene;6,6,7-trimethyl-7-prop-1-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
The InChIKey is YXPFYVLSSRBFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28.C16H26.C3H6/c1-12(2)16(5)11-14-9-7-6-8-13(14)10-15(16,3)4;1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4;1-3-2/h13-14H,1,6-11H2,2-5H3;13-16H,1,3,5-10H2,2,4H3;3H,1H2,2H3.
What are the key properties of 2,3-bis(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;prop-1-ene;6,6,7-trimethyl-7-prop-1-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
2,3-bis(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;prop-1-ene;6,6,7-trimethyl-7-prop-1-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene has a molecular weight of 480.87 g/mol, XLogP of 11.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;prop-1-ene;6,6,7-trimethyl-7-prop-1-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene is sourced from PubChem (CID 144605888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).