(1S,3S)-1,3-bis(prop-2-enyl)-2,3,4,5,6,7-hexahydro-1H-indene

C15H22 — CID 102075109

IUPAC(1S,3S)-1,3-bis(prop-2-enyl)-2,3,4,5,6,7-hexahydro-1H-indene
SMILESC=CC[C@H]1C[C@H](CC=C)C2=C1CCCC2
InChIInChI=1S/C15H22/c1-3-7-12-11-13(8-4-2)15-10-6-5-9-14(12)15/h3-4,12-13H,1-2,5-11H2/t12-,13-/m0/s1
InChIKeyXFYVHXOQEQOQFQ-STQMWFEESA-N
MW202.34 g/mol
LogP4.65
Rot. Bonds4

About (1S,3S)-1,3-bis(prop-2-enyl)-2,3,4,5,6,7-hexahydro-1H-indene

(1S,3S)-1,3-bis(prop-2-enyl)-2,3,4,5,6,7-hexahydro-1H-indene (PubChem CID 102075109) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is (1S,3S)-1,3-bis(prop-2-enyl)-2,3,4,5,6,7-hexahydro-1H-indene.

Molecular Properties

Compound Name(1S,3S)-1,3-bis(prop-2-enyl)-2,3,4,5,6,7-hexahydro-1H-indene
PubChem CID102075109
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name(1S,3S)-1,3-bis(prop-2-enyl)-2,3,4,5,6,7-hexahydro-1H-indene
SMILESC=CC[C@H]1C[C@H](CC=C)C2=C1CCCC2
InChIInChI=1S/C15H22/c1-3-7-12-11-13(8-4-2)15-10-6-5-9-14(12)15/h3-4,12-13H,1-2,5-11H2/t12-,13-/m0/s1
InChIKeyXFYVHXOQEQOQFQ-STQMWFEESA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.65
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

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CID 10773625
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CID 148843377
2-prop-2-enylcyclohexane-1-thione
CID 173030397
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 138977422
2-methylidene-3-prop-2-enylcyclohexan-1-one
CID 130030327
(1E,2Z)-1,2-bis(but-3-enylidene)cyclohexane
CID 177482079
(5S)-5-prop-2-enylcycloheptane-1,4-dione
CID 16724096
1,1-dimethyl-3-methylidene-4-prop-2-enylcyclopentane
CID 174071614
3-prop-2-enylcycloheptan-1-one
CID 11378603
(3R)-3-prop-2-enyloxan-4-one
CID 130367594
(3R,5S)-5-methyl-3-prop-2-enylpyrrolidin-2-one
CID 55300790
(9Z)-6-prop-2-enylcyclohexadec-9-ene-1,5-dione
CID 69342863

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-1,3-bis(prop-2-enyl)-2,3,4,5,6,7-hexahydro-1H-indene?
The IUPAC name of (1S,3S)-1,3-bis(prop-2-enyl)-2,3,4,5,6,7-hexahydro-1H-indene (CID 102075109) is (1S,3S)-1,3-bis(prop-2-enyl)-2,3,4,5,6,7-hexahydro-1H-indene.
What is the SMILES notation for (1S,3S)-1,3-bis(prop-2-enyl)-2,3,4,5,6,7-hexahydro-1H-indene?
The canonical SMILES for (1S,3S)-1,3-bis(prop-2-enyl)-2,3,4,5,6,7-hexahydro-1H-indene is C=CC[C@H]1C[C@H](CC=C)C2=C1CCCC2.
What is the InChIKey of (1S,3S)-1,3-bis(prop-2-enyl)-2,3,4,5,6,7-hexahydro-1H-indene?
The InChIKey is XFYVHXOQEQOQFQ-STQMWFEESA-N. The full InChI is InChI=1S/C15H22/c1-3-7-12-11-13(8-4-2)15-10-6-5-9-14(12)15/h3-4,12-13H,1-2,5-11H2/t12-,13-/m0/s1.
What are the key properties of (1S,3S)-1,3-bis(prop-2-enyl)-2,3,4,5,6,7-hexahydro-1H-indene?
(1S,3S)-1,3-bis(prop-2-enyl)-2,3,4,5,6,7-hexahydro-1H-indene has a molecular weight of 202.34 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-1,3-bis(prop-2-enyl)-2,3,4,5,6,7-hexahydro-1H-indene is sourced from PubChem (CID 102075109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).