ethane;3-methylidene-5-propan-2-yl-2,4-dihydro-1H-naphthalene;4-methylidene-5-propan-2-yl-2,3-dihydro-1H-naphthalene

C32H48 — CID 165077410

IUPACethane;3-methylidene-5-propan-2-yl-2,4-dihydro-1H-naphthalene;4-methylidene-5-propan-2-yl-2,3-dihydro-1H-naphthalene
SMILESC=C1CCCc2cccc(C(C)C)c21.C=C1CCc2cccc(C(C)C)c2C1.CC.CC
InChIInChI=1S/2C14H18.2C2H6/c1-10(2)13-9-5-8-12-7-4-6-11(3)14(12)13;1-10(2)13-6-4-5-12-8-7-11(3)9-14(12)13;2*1-2/h5,8-10H,3-4,6-7H2,1-2H3;4-6,10H,3,7-9H2,1-2H3;2*1-2H3
InChIKeyUNUBWLRBGBOKMI-UHFFFAOYSA-N
MW432.74 g/mol
LogP10.07
Rot. Bonds2

About ethane;3-methylidene-5-propan-2-yl-2,4-dihydro-1H-naphthalene;4-methylidene-5-propan-2-yl-2,3-dihydro-1H-naphthalene

ethane;3-methylidene-5-propan-2-yl-2,4-dihydro-1H-naphthalene;4-methylidene-5-propan-2-yl-2,3-dihydro-1H-naphthalene (PubChem CID 165077410) has the molecular formula C32H48 and a molecular weight of 432.74 g/mol. Its IUPAC name is ethane;3-methylidene-5-propan-2-yl-2,4-dihydro-1H-naphthalene;4-methylidene-5-propan-2-yl-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Nameethane;3-methylidene-5-propan-2-yl-2,4-dihydro-1H-naphthalene;4-methylidene-5-propan-2-yl-2,3-dihydro-1H-naphthalene
PubChem CID165077410
Molecular FormulaC32H48
Molecular Weight432.74 g/mol
Exact Mass432.38
IUPAC Nameethane;3-methylidene-5-propan-2-yl-2,4-dihydro-1H-naphthalene;4-methylidene-5-propan-2-yl-2,3-dihydro-1H-naphthalene
SMILESC=C1CCCc2cccc(C(C)C)c21.C=C1CCc2cccc(C(C)C)c2C1.CC.CC
InChIInChI=1S/2C14H18.2C2H6/c1-10(2)13-9-5-8-12-7-4-6-11(3)14(12)13;1-10(2)13-6-4-5-12-8-7-11(3)9-14(12)13;2*1-2/h5,8-10H,3-4,6-7H2,1-2H3;4-6,10H,3,7-9H2,1-2H3;2*1-2H3
InChIKeyUNUBWLRBGBOKMI-UHFFFAOYSA-N
XLogP10.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.74
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-methylidene-5-propan-2-yl-2,3-dihydro-1H-naphthalene
CID 165077411
7-propan-2-yl-2,3-dihydroinden-1-one
CID 45096604
5-ethyl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indene
CID 178128583
ethane;2-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 143482609
ethane;4,5,9,10-tetrahydropyrene
CID 157285426
1,8-di(propan-2-yl)-9H-fluorene
CID 160592533
8-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130000646
8-methyl-3-methylidene-2,4-dihydro-1H-naphthalene
CID 147775008
2,3-dihydro-1H-indene;2-methylpropane
CID 91244867
2-cyclopentyl-5-propan-2-yl-1,4-dihydroisoquinolin-3-one
CID 167034342
1-(8-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanethiol
CID 155043779
1-propan-2-yl-9H-thioxanthene
CID 23368911

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylidene-5-propan-2-yl-2,4-dihydro-1H-naphthalene;4-methylidene-5-propan-2-yl-2,3-dihydro-1H-naphthalene?
The IUPAC name of ethane;3-methylidene-5-propan-2-yl-2,4-dihydro-1H-naphthalene;4-methylidene-5-propan-2-yl-2,3-dihydro-1H-naphthalene (CID 165077410) is ethane;3-methylidene-5-propan-2-yl-2,4-dihydro-1H-naphthalene;4-methylidene-5-propan-2-yl-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for ethane;3-methylidene-5-propan-2-yl-2,4-dihydro-1H-naphthalene;4-methylidene-5-propan-2-yl-2,3-dihydro-1H-naphthalene?
The canonical SMILES for ethane;3-methylidene-5-propan-2-yl-2,4-dihydro-1H-naphthalene;4-methylidene-5-propan-2-yl-2,3-dihydro-1H-naphthalene is C=C1CCCc2cccc(C(C)C)c21.C=C1CCc2cccc(C(C)C)c2C1.CC.CC.
What is the InChIKey of ethane;3-methylidene-5-propan-2-yl-2,4-dihydro-1H-naphthalene;4-methylidene-5-propan-2-yl-2,3-dihydro-1H-naphthalene?
The InChIKey is UNUBWLRBGBOKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H18.2C2H6/c1-10(2)13-9-5-8-12-7-4-6-11(3)14(12)13;1-10(2)13-6-4-5-12-8-7-11(3)9-14(12)13;2*1-2/h5,8-10H,3-4,6-7H2,1-2H3;4-6,10H,3,7-9H2,1-2H3;2*1-2H3.
What are the key properties of ethane;3-methylidene-5-propan-2-yl-2,4-dihydro-1H-naphthalene;4-methylidene-5-propan-2-yl-2,3-dihydro-1H-naphthalene?
ethane;3-methylidene-5-propan-2-yl-2,4-dihydro-1H-naphthalene;4-methylidene-5-propan-2-yl-2,3-dihydro-1H-naphthalene has a molecular weight of 432.74 g/mol, XLogP of 10.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylidene-5-propan-2-yl-2,4-dihydro-1H-naphthalene;4-methylidene-5-propan-2-yl-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 165077410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).