2-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C13H22 — CID 90735344

IUPAC2-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC=C(C)C1CCC2CCCCC2C1
InChIInChI=1S/C13H22/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h11-13H,1,3-9H2,2H3
InChIKeyVWBHSVARASRQQS-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.17
Rot. Bonds1

About 2-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 90735344) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 2-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID90735344
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name2-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC=C(C)C1CCC2CCCCC2C1
InChIInChI=1S/C13H22/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h11-13H,1,3-9H2,2H3
InChIKeyVWBHSVARASRQQS-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.17
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

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylbut-3-en-1-one
CID 115780574
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid;acetic acid
CID 175499528
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-1-one
CID 114962133
3-prop-1-en-2-ylcyclododecan-1-ol
CID 24977822
(3R,4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene-3-carboxylic acid
CID 131049059
1,2-dimethyl-6-(4-prop-1-en-2-ylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 123269209
(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol
CID 165066222
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclohexyl)methanone
CID 114962205
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(3,5-dimethylcyclohexyl)ethane-1,2-dione
CID 90830830
potassium;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate;cyclobutane;cyclopentane
CID 142046655
cis-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane
CID 13138751
8-methyl-5,8-bis(prop-1-en-2-yl)-2,3,3a,4,5,6,7,8a-octahydro-1H-azulene
CID 146955123

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 90735344) is 2-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is C=C(C)C1CCC2CCCCC2C1.
What is the InChIKey of 2-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is VWBHSVARASRQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h11-13H,1,3-9H2,2H3.
What are the key properties of 2-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 178.32 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 90735344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).