(1S,4S,5S)-1-cyclohexyl-8-methylspiro[4.5]deca-7,9-diene-4-carboxylic acid

Name: (1S,4S,5S)-1-cyclohexyl-8-methylspiro[4.5]deca-7,9-diene-4-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₂₆O₂ — CID 155512106

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

IUPAC(1S,4S,5S)-1-cyclohexyl-8-methylspiro[4.5]deca-7,9-diene-4-carboxylic acid

SMILESCC1=CC[C@@]2(C=C1)[C@@H](C(=O)O)CC[C@H]2C1CCCCC1

InChIInChI=1S/C18H26O2/c1-13-9-11-18(12-10-13)15(7-8-16(18)17(19)20)14-5-3-2-4-6-14/h9-11,14-16H,2-8,12H2,1H3,(H,19,20)/t15-,16+,18+/m0/s1

InChIKeyMJIQEQHXZPYDAR-LZLYRXPVSA-N

MW274.40 g/mol

LogP4.57

Rot. Bonds2

About (1S,4S,5S)-1-cyclohexyl-8-methylspiro[4.5]deca-7,9-diene-4-carboxylic acid

(1S,4S,5S)-1-cyclohexyl-8-methylspiro[4.5]deca-7,9-diene-4-carboxylic acid (PubChem CID 155512106) has the molecular formula C₁₈H₂₆O₂ and a molecular weight of 274.40 g/mol. Its IUPAC name is (1S,4S,5S)-1-cyclohexyl-8-methylspiro[4.5]deca-7,9-diene-4-carboxylic acid.

Molecular Properties

Compound Name	(1S,4S,5S)-1-cyclohexyl-8-methylspiro[4.5]deca-7,9-diene-4-carboxylic acid
PubChem CID	155512106
Molecular Formula	C₁₈H₂₆O₂
Molecular Weight	274.40 g/mol
Exact Mass	274.19
IUPAC Name	(1S,4S,5S)-1-cyclohexyl-8-methylspiro[4.5]deca-7,9-diene-4-carboxylic acid
SMILES	CC1=CC[C@@]2(C=C1)[C@@H](C(=O)O)CC[C@H]2C1CCCCC1
InChI	InChI=1S/C18H26O2/c1-13-9-11-18(12-10-13)15(7-8-16(18)17(19)20)14-5-3-2-4-6-14/h9-11,14-16H,2-8,12H2,1H3,(H,19,20)/t15-,16+,18+/m0/s1
InChIKey	MJIQEQHXZPYDAR-LZLYRXPVSA-N
XLogP	4.57
TPSA	37.30 Å²
H-Bond Donors	1
H-Bond Acceptors	1
Rotatable Bonds	2
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	274.40
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of (1S,4S,5S)-1-cyclohexyl-8-methylspiro[4.5]deca-7,9-diene-4-carboxylic acid?

The IUPAC name of (1S,4S,5S)-1-cyclohexyl-8-methylspiro[4.5]deca-7,9-diene-4-carboxylic acid (CID 155512106) is (1S,4S,5S)-1-cyclohexyl-8-methylspiro[4.5]deca-7,9-diene-4-carboxylic acid.

What is the SMILES notation for (1S,4S,5S)-1-cyclohexyl-8-methylspiro[4.5]deca-7,9-diene-4-carboxylic acid?

The canonical SMILES for (1S,4S,5S)-1-cyclohexyl-8-methylspiro[4.5]deca-7,9-diene-4-carboxylic acid is CC1=CC[C@@]2(C=C1)[C@@H](C(=O)O)CC[C@H]2C1CCCCC1.

What is the InChIKey of (1S,4S,5S)-1-cyclohexyl-8-methylspiro[4.5]deca-7,9-diene-4-carboxylic acid?

The InChIKey is MJIQEQHXZPYDAR-LZLYRXPVSA-N. The full InChI is InChI=1S/C18H26O2/c1-13-9-11-18(12-10-13)15(7-8-16(18)17(19)20)14-5-3-2-4-6-14/h9-11,14-16H,2-8,12H2,1H3,(H,19,20)/t15-,16+,18+/m0/s1.

What are the key properties of (1S,4S,5S)-1-cyclohexyl-8-methylspiro[4.5]deca-7,9-diene-4-carboxylic acid?

(1S,4S,5S)-1-cyclohexyl-8-methylspiro[4.5]deca-7,9-diene-4-carboxylic acid has a molecular weight of 274.40 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,4S,5S)-1-cyclohexyl-8-methylspiro[4.5]deca-7,9-diene-4-carboxylic acid is sourced from PubChem (CID 155512106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155512106 — identifiers, structure, computed properties (public domain)

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