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

C15H26O3 — CID 129317216

IUPAC(3S,5R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-7,8-diol
SMILESC=C(C)[C@H]1CC[C@@]2(C1)C(CO)CC(O)C(O)C2C
InChIInChI=1S/C15H26O3/c1-9(2)11-4-5-15(7-11)10(3)14(18)13(17)6-12(15)8-16/h10-14,16-18H,1,4-8H2,2-3H3/t10?,11-,12?,13?,14?,15-/m0/s1
InChIKeyNPIIWZCGVADPIE-RVNJSBCLSA-N
MW254.37 g/mol
LogP1.72
Rot. Bonds2

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

(3S,5R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-7,8-diol (PubChem CID 129317216) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3S,5R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-7,8-diol.

Molecular Properties

Compound Name(3S,5R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-7,8-diol
PubChem CID129317216
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(3S,5R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-7,8-diol
SMILESC=C(C)[C@H]1CC[C@@]2(C1)C(CO)CC(O)C(O)C2C
InChIInChI=1S/C15H26O3/c1-9(2)11-4-5-15(7-11)10(3)14(18)13(17)6-12(15)8-16/h10-14,16-18H,1,4-8H2,2-3H3/t10?,11-,12?,13?,14?,15-/m0/s1
InChIKeyNPIIWZCGVADPIE-RVNJSBCLSA-N
XLogP1.72
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,5S,6R,8R,10R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-ol
CID 102057385
[(6R,7S,8S,11S)-6-methyl-11-prop-1-en-2-yl-1,4-dioxadispiro[4.1.57.25]tetradecan-8-yl]methanol
CID 154601709
[(3R,5S,6R,8S,10R)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-yl]methyl acetate
CID 102057388
8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-10-carbaldehyde
CID 3504626
3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane
CID 163960686
(6S,8R,9R,10S)-10-amino-6-(hydroxymethyl)spiro[4.5]decane-8,9-diol;hydrochloride
CID 11651736
7,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-6-en-8-ol
CID 162899953
(3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one
CID 10036509
(1S,3R,5R,6R,8R,9R,10S)-3-(3-hydroxyprop-1-en-2-yl)-10-methyltricyclo[4.4.0.01,5]decane-8,9-diol
CID 163358966
(1R,2R,4R,6S,7S,8R,9S)-1,6,7-trimethyl-4-prop-1-en-2-yltricyclo[4.3.0.02,9]nonan-8-ol
CID 11020428
(1S,3R,5R,8S,10R,12R)-5,12-bis(prop-1-en-2-yl)-2,9-dioxatetracyclo[6.6.2.01,10.03,8]hexadecane-3,10-diol
CID 139091680
(3R,5S,6R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
CID 25200393

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-7,8-diol?
The IUPAC name of (3S,5R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-7,8-diol (CID 129317216) is (3S,5R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-7,8-diol.
What is the SMILES notation for (3S,5R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-7,8-diol?
The canonical SMILES for (3S,5R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-7,8-diol is C=C(C)[C@H]1CC[C@@]2(C1)C(CO)CC(O)C(O)C2C.
What is the InChIKey of (3S,5R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-7,8-diol?
The InChIKey is NPIIWZCGVADPIE-RVNJSBCLSA-N. The full InChI is InChI=1S/C15H26O3/c1-9(2)11-4-5-15(7-11)10(3)14(18)13(17)6-12(15)8-16/h10-14,16-18H,1,4-8H2,2-3H3/t10?,11-,12?,13?,14?,15-/m0/s1.
What are the key properties of (3S,5R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-7,8-diol?
(3S,5R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-7,8-diol has a molecular weight of 254.37 g/mol, XLogP of 1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-7,8-diol is sourced from PubChem (CID 129317216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).