(3S,5S,6S,7R,8R,10S)-7,8-dihydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde

C15H24O3 — CID 162990283

IUPAC(3S,5S,6S,7R,8R,10S)-7,8-dihydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde
SMILESC=C(C)[C@H]1CC[C@]2(C1)[C@H](C)[C@@H](O)C(O)C[C@@H]2C=O
InChIInChI=1S/C15H24O3/c1-9(2)11-4-5-15(7-11)10(3)14(18)13(17)6-12(15)8-16/h8,10-14,17-18H,1,4-7H2,2-3H3/t10-,11+,12-,13?,14-,15+/m1/s1
InChIKeyYIGYYGXJIDAEOF-UWOCAKRYSA-N
MW252.35 g/mol
LogP1.93
Rot. Bonds2

About (3S,5S,6S,7R,8R,10S)-7,8-dihydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde

(3S,5S,6S,7R,8R,10S)-7,8-dihydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde (PubChem CID 162990283) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (3S,5S,6S,7R,8R,10S)-7,8-dihydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde.

Molecular Properties

Compound Name(3S,5S,6S,7R,8R,10S)-7,8-dihydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde
PubChem CID162990283
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(3S,5S,6S,7R,8R,10S)-7,8-dihydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde
SMILESC=C(C)[C@H]1CC[C@]2(C1)[C@H](C)[C@@H](O)C(O)C[C@@H]2C=O
InChIInChI=1S/C15H24O3/c1-9(2)11-4-5-15(7-11)10(3)14(18)13(17)6-12(15)8-16/h8,10-14,17-18H,1,4-7H2,2-3H3/t10-,11+,12-,13?,14-,15+/m1/s1
InChIKeyYIGYYGXJIDAEOF-UWOCAKRYSA-N
XLogP1.93
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Lubimin
CID 442383
Epioxylubimin
CID 14565572
8-Hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde
CID 3504626
(2R,5S,6R,8S,10R)-8-Hydroxy-10-methyl-2-(1-methylethenyl)spiro(4.5)decane-6-carboxaldehyde
CID 21594965
Hydroxylubimin
CID 21594964
Aethione
CID 10036509
(4S,4aR,6R,7R,8S,8aS)-7,8-dihydroxy-4,4a-dimethyl-6-prop-1-en-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
CID 14890372
(3S,5R,6R,8S,10S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde
CID 162916893
(3R,5R,6R,8R,10S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde
CID 162916894
(3R,5R,6R,8S,10S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde
CID 163187622
(3R,5S,6S,7R,8R,10R)-7,8-dihydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde
CID 21675004
(3S,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde
CID 134865930

Frequently Asked Questions

What is the IUPAC name of (3S,5S,6S,7R,8R,10S)-7,8-dihydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde?
The IUPAC name of (3S,5S,6S,7R,8R,10S)-7,8-dihydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde (CID 162990283) is (3S,5S,6S,7R,8R,10S)-7,8-dihydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde.
What is the SMILES notation for (3S,5S,6S,7R,8R,10S)-7,8-dihydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde?
The canonical SMILES for (3S,5S,6S,7R,8R,10S)-7,8-dihydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde is C=C(C)[C@H]1CC[C@]2(C1)[C@H](C)[C@@H](O)C(O)C[C@@H]2C=O.
What is the InChIKey of (3S,5S,6S,7R,8R,10S)-7,8-dihydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde?
The InChIKey is YIGYYGXJIDAEOF-UWOCAKRYSA-N. The full InChI is InChI=1S/C15H24O3/c1-9(2)11-4-5-15(7-11)10(3)14(18)13(17)6-12(15)8-16/h8,10-14,17-18H,1,4-7H2,2-3H3/t10-,11+,12-,13?,14-,15+/m1/s1.
What are the key properties of (3S,5S,6S,7R,8R,10S)-7,8-dihydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde?
(3S,5S,6S,7R,8R,10S)-7,8-dihydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde has a molecular weight of 252.35 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S,6S,7R,8R,10S)-7,8-dihydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde is sourced from PubChem (CID 162990283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).