(2R,3S,5R)-3,5,6,6-tetramethyl-4-methylideneheptan-2-ol

C12H24O — CID 124933373

IUPAC(2R,3S,5R)-3,5,6,6-tetramethyl-4-methylideneheptan-2-ol
SMILESC=C([C@H](C)[C@@H](C)O)[C@H](C)C(C)(C)C
InChIInChI=1S/C12H24O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h9-11,13H,1H2,2-7H3/t9-,10-,11+/m0/s1
InChIKeyKQHNSYOQXVRMSX-GARJFASQSA-N
MW184.32 g/mol
LogP3.24
Rot. Bonds3

About (2R,3S,5R)-3,5,6,6-tetramethyl-4-methylideneheptan-2-ol

(2R,3S,5R)-3,5,6,6-tetramethyl-4-methylideneheptan-2-ol (PubChem CID 124933373) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (2R,3S,5R)-3,5,6,6-tetramethyl-4-methylideneheptan-2-ol.

Molecular Properties

Compound Name(2R,3S,5R)-3,5,6,6-tetramethyl-4-methylideneheptan-2-ol
PubChem CID124933373
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(2R,3S,5R)-3,5,6,6-tetramethyl-4-methylideneheptan-2-ol
SMILESC=C([C@H](C)[C@@H](C)O)[C@H](C)C(C)(C)C
InChIInChI=1S/C12H24O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h9-11,13H,1H2,2-7H3/t9-,10-,11+/m0/s1
InChIKeyKQHNSYOQXVRMSX-GARJFASQSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.24
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

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4,5,5-trimethyl-3-methylidenehex-1-en-2-amine
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3-tert-butyl-4,4-dimethylpentan-2-ol
CID 59805518
(2R,3S)-3,4,4-trimethylpentan-2-ol
CID 58403064
(2S,3S)-3-methyl-4-methylidenehexan-2-ol
CID 130747070
(3R)-4-methylpentane-2,3-diol
CID 59911125
(3R)-2,3,5-trimethyl-4-methylidenehexane
CID 58859453
3-(1-hydroxyethyl)-2,4-dimethylpentane-2,4-diol
CID 87799633
propan-2-yl (2R)-2,3,3-trimethylbutanoate
CID 59132044
2,6,7,7-tetramethyloct-1-en-4-ol
CID 115816985
(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-3,5,6,6-tetramethyl-4-methylideneheptan-2-ol?
The IUPAC name of (2R,3S,5R)-3,5,6,6-tetramethyl-4-methylideneheptan-2-ol (CID 124933373) is (2R,3S,5R)-3,5,6,6-tetramethyl-4-methylideneheptan-2-ol.
What is the SMILES notation for (2R,3S,5R)-3,5,6,6-tetramethyl-4-methylideneheptan-2-ol?
The canonical SMILES for (2R,3S,5R)-3,5,6,6-tetramethyl-4-methylideneheptan-2-ol is C=C([C@H](C)[C@@H](C)O)[C@H](C)C(C)(C)C.
What is the InChIKey of (2R,3S,5R)-3,5,6,6-tetramethyl-4-methylideneheptan-2-ol?
The InChIKey is KQHNSYOQXVRMSX-GARJFASQSA-N. The full InChI is InChI=1S/C12H24O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h9-11,13H,1H2,2-7H3/t9-,10-,11+/m0/s1.
What are the key properties of (2R,3S,5R)-3,5,6,6-tetramethyl-4-methylideneheptan-2-ol?
(2R,3S,5R)-3,5,6,6-tetramethyl-4-methylideneheptan-2-ol has a molecular weight of 184.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-3,5,6,6-tetramethyl-4-methylideneheptan-2-ol is sourced from PubChem (CID 124933373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).