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

C18H26O2 — CID 155512106

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 CID155512106
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(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
XLogP4.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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).