(1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene

Name: (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₂₀ — CID 102007306

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene

SMILESC[C@@H]1c2ccccc2C[C@H]1C#CC1=CCCCC1

InChIInChI=1S/C18H20/c1-14-16(12-11-15-7-3-2-4-8-15)13-17-9-5-6-10-18(14)17/h5-7,9-10,14,16H,2-4,8,13H2,1H3/t14-,16+/m0/s1

InChIKeyVNXYPDJEJQDAKF-GOEBONIOSA-N

MW236.36 g/mol

LogP4.47

Rot. Bonds

About (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene

(1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene (PubChem CID 102007306) has the molecular formula C₁₈H₂₀ and a molecular weight of 236.36 g/mol. Its IUPAC name is (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name	(1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene
PubChem CID	102007306
Molecular Formula	C₁₈H₂₀
Molecular Weight	236.36 g/mol
Exact Mass	236.16
IUPAC Name	(1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene
SMILES	C[C@@H]1c2ccccc2C[C@H]1C#CC1=CCCCC1
InChI	InChI=1S/C18H20/c1-14-16(12-11-15-7-3-2-4-8-15)13-17-9-5-6-10-18(14)17/h5-7,9-10,14,16H,2-4,8,13H2,1H3/t14-,16+/m0/s1
InChIKey	VNXYPDJEJQDAKF-GOEBONIOSA-N
XLogP	4.47
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	236.36
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene?

The IUPAC name of (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene (CID 102007306) is (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene.

What is the SMILES notation for (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene?

The canonical SMILES for (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene is C[C@@H]1c2ccccc2C[C@H]1C#CC1=CCCCC1.

What is the InChIKey of (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene?

The InChIKey is VNXYPDJEJQDAKF-GOEBONIOSA-N. The full InChI is InChI=1S/C18H20/c1-14-16(12-11-15-7-3-2-4-8-15)13-17-9-5-6-10-18(14)17/h5-7,9-10,14,16H,2-4,8,13H2,1H3/t14-,16+/m0/s1.

What are the key properties of (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene?

(1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene has a molecular weight of 236.36 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2R)-2-[2-(cyclohexen-1-yl)ethynyl]-1-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 102007306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 102007306 — identifiers, structure, computed properties (public domain)

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