(3S,7S)-2,8-dimethyl-5-methylidenenonane-3,7-diol

C12H24O2 — CID 15423973

IUPAC(3S,7S)-2,8-dimethyl-5-methylidenenonane-3,7-diol
SMILESC=C(C[C@H](O)C(C)C)C[C@H](O)C(C)C
InChIInChI=1S/C12H24O2/c1-8(2)11(13)6-10(5)7-12(14)9(3)4/h8-9,11-14H,5-7H2,1-4H3/t11-,12-/m0/s1
InChIKeyUHSJLRKPORYLIX-RYUDHWBXSA-N
MW200.32 g/mol
LogP2.36
Rot. Bonds6

About (3S,7S)-2,8-dimethyl-5-methylidenenonane-3,7-diol

(3S,7S)-2,8-dimethyl-5-methylidenenonane-3,7-diol (PubChem CID 15423973) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (3S,7S)-2,8-dimethyl-5-methylidenenonane-3,7-diol.

Molecular Properties

Compound Name(3S,7S)-2,8-dimethyl-5-methylidenenonane-3,7-diol
PubChem CID15423973
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(3S,7S)-2,8-dimethyl-5-methylidenenonane-3,7-diol
SMILESC=C(C[C@H](O)C(C)C)C[C@H](O)C(C)C
InChIInChI=1S/C12H24O2/c1-8(2)11(13)6-10(5)7-12(14)9(3)4/h8-9,11-14H,5-7H2,1-4H3/t11-,12-/m0/s1
InChIKeyUHSJLRKPORYLIX-RYUDHWBXSA-N
XLogP2.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,7S)-2,8-dimethyl-5-methylidenenonane-3,7-diol?
The IUPAC name of (3S,7S)-2,8-dimethyl-5-methylidenenonane-3,7-diol (CID 15423973) is (3S,7S)-2,8-dimethyl-5-methylidenenonane-3,7-diol.
What is the SMILES notation for (3S,7S)-2,8-dimethyl-5-methylidenenonane-3,7-diol?
The canonical SMILES for (3S,7S)-2,8-dimethyl-5-methylidenenonane-3,7-diol is C=C(C[C@H](O)C(C)C)C[C@H](O)C(C)C.
What is the InChIKey of (3S,7S)-2,8-dimethyl-5-methylidenenonane-3,7-diol?
The InChIKey is UHSJLRKPORYLIX-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H24O2/c1-8(2)11(13)6-10(5)7-12(14)9(3)4/h8-9,11-14H,5-7H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of (3S,7S)-2,8-dimethyl-5-methylidenenonane-3,7-diol?
(3S,7S)-2,8-dimethyl-5-methylidenenonane-3,7-diol has a molecular weight of 200.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7S)-2,8-dimethyl-5-methylidenenonane-3,7-diol is sourced from PubChem (CID 15423973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).