(4R,5R,7S)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol

C15H26O — CID 10977052

IUPAC(4R,5R,7S)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol
SMILESC=C1CC[C@H](C(C)C)C[C@]12CCC[C@@]2(C)O
InChIInChI=1S/C15H26O/c1-11(2)13-7-6-12(3)15(10-13)9-5-8-14(15,4)16/h11,13,16H,3,5-10H2,1-2,4H3/t13-,14+,15+/m0/s1
InChIKeyAEUBOEQPIBOTGP-RRFJBIMHSA-N
MW222.37 g/mol
LogP3.92
Rot. Bonds1

About (4R,5R,7S)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol

(4R,5R,7S)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol (PubChem CID 10977052) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (4R,5R,7S)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name(4R,5R,7S)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol
PubChem CID10977052
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(4R,5R,7S)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol
SMILESC=C1CC[C@H](C(C)C)C[C@]12CCC[C@@]2(C)O
InChIInChI=1S/C15H26O/c1-11(2)13-7-6-12(3)15(10-13)9-5-8-14(15,4)16/h11,13,16H,3,5-10H2,1-2,4H3/t13-,14+,15+/m0/s1
InChIKeyAEUBOEQPIBOTGP-RRFJBIMHSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5R,7R)-4,10-dimethylidene-7-propan-2-ylspiro[4.5]decane
CID 11138213
(5R,7R)-7-propan-2-ylspiro[4.5]decane-4,10-dione
CID 10998243
1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate
CID 141162449
1-tert-butyl-3-propan-2-ylcyclohexan-1-ol
CID 107449674
2-methylidene-5-propan-2-ylcyclohexan-1-ol
CID 12642437
cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine
CID 124680458
(3S,4aR,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene
CID 162873957
trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol
CID 54292427
1-fluoro-1-methyl-3-propan-2-ylcyclopentane
CID 118410768
(2R,6S,8aR)-6-methoxy-8a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene
CID 91747508
(1S,2S,5R)-2-ethenyl-2-methyl-5-propan-2-yl-1-prop-1-en-2-ylcyclohexan-1-ol
CID 10857067
2-hydroxy-2-[(1S,2R,5R)-1-hydroxy-2-methyl-5-propan-2-ylcyclohexyl]cyclobutan-1-one
CID 10014531

Frequently Asked Questions

What is the IUPAC name of (4R,5R,7S)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol?
The IUPAC name of (4R,5R,7S)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol (CID 10977052) is (4R,5R,7S)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol.
What is the SMILES notation for (4R,5R,7S)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol?
The canonical SMILES for (4R,5R,7S)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol is C=C1CC[C@H](C(C)C)C[C@]12CCC[C@@]2(C)O.
What is the InChIKey of (4R,5R,7S)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol?
The InChIKey is AEUBOEQPIBOTGP-RRFJBIMHSA-N. The full InChI is InChI=1S/C15H26O/c1-11(2)13-7-6-12(3)15(10-13)9-5-8-14(15,4)16/h11,13,16H,3,5-10H2,1-2,4H3/t13-,14+,15+/m0/s1.
What are the key properties of (4R,5R,7S)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol?
(4R,5R,7S)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol has a molecular weight of 222.37 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,7S)-4-methyl-10-methylidene-7-propan-2-ylspiro[4.5]decan-4-ol is sourced from PubChem (CID 10977052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).