methane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol

C12H24O — CID 157073054

IUPACmethane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol
SMILESC.C=CC[C@H](C(C)C)[C@@H](O)CC=C
InChIInChI=1S/C11H20O.CH4/c1-5-7-10(9(3)4)11(12)8-6-2;/h5-6,9-12H,1-2,7-8H2,3-4H3;1H4/t10-,11+;/m1./s1
InChIKeyACQPYTAJRGNXPE-DHXVBOOMSA-N
MW184.32 g/mol
LogP3.41
Rot. Bonds6

About methane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol

methane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol (PubChem CID 157073054) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is methane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol.

Molecular Properties

Compound Namemethane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol
PubChem CID157073054
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Namemethane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol
SMILESC.C=CC[C@H](C(C)C)[C@@H](O)CC=C
InChIInChI=1S/C11H20O.CH4/c1-5-7-10(9(3)4)11(12)8-6-2;/h5-6,9-12H,1-2,7-8H2,3-4H3;1H4/t10-,11+;/m1./s1
InChIKeyACQPYTAJRGNXPE-DHXVBOOMSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.41
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

(3S)-4-propan-2-ylhept-6-en-3-ol
CID 59039473
(4S,5S)-5-ethyl-6-methylhept-1-en-4-ol
CID 59076573
methane;(2S,3R)-3-propan-2-ylhex-5-en-2-ol
CID 160589694
(2S,3R)-3-propan-2-ylhex-5-en-2-ol
CID 59911359
3-methylhept-6-ene-2,4-diol
CID 66895376
(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
CID 59039366
(2R)-2-methylhex-5-ene-1,3-diol
CID 130652300
azane;pent-4-en-2-ol
CID 22149561
ethane;5-methyloct-1-en-4-ol
CID 142059047
1-methoxy-2-methylhex-5-en-3-ol
CID 116502507
3-hydroxy-2-methylhex-5-enoic acid
CID 174792452
4-propan-2-ylhepta-1,6-diene
CID 14140894

Frequently Asked Questions

What is the IUPAC name of methane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol?
The IUPAC name of methane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol (CID 157073054) is methane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol.
What is the SMILES notation for methane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol?
The canonical SMILES for methane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol is C.C=CC[C@H](C(C)C)[C@@H](O)CC=C.
What is the InChIKey of methane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol?
The InChIKey is ACQPYTAJRGNXPE-DHXVBOOMSA-N. The full InChI is InChI=1S/C11H20O.CH4/c1-5-7-10(9(3)4)11(12)8-6-2;/h5-6,9-12H,1-2,7-8H2,3-4H3;1H4/t10-,11+;/m1./s1.
What are the key properties of methane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol?
methane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol has a molecular weight of 184.32 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol is sourced from PubChem (CID 157073054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).