(1S,4S)-6-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-2,3,4,4a,8,8a-hexahydronaphthalen-1-ol

C16H26O2 — CID 162821030

IUPAC(1S,4S)-6-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-2,3,4,4a,8,8a-hexahydronaphthalen-1-ol
SMILESC=C1CC2C(C=C1CO)[C@H](C(C)C)CC[C@]2(C)O
InChIInChI=1S/C16H26O2/c1-10(2)13-5-6-16(4,18)15-7-11(3)12(9-17)8-14(13)15/h8,10,13-15,17-18H,3,5-7,9H2,1-2,4H3/t13-,14?,15?,16-/m0/s1
InChIKeyFUOFLPVLQDIJPD-LBDPXKHJSA-N
MW250.38 g/mol
LogP2.91
Rot. Bonds2

About (1S,4S)-6-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-2,3,4,4a,8,8a-hexahydronaphthalen-1-ol

(1S,4S)-6-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-2,3,4,4a,8,8a-hexahydronaphthalen-1-ol (PubChem CID 162821030) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (1S,4S)-6-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-2,3,4,4a,8,8a-hexahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,4S)-6-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-2,3,4,4a,8,8a-hexahydronaphthalen-1-ol
PubChem CID162821030
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(1S,4S)-6-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-2,3,4,4a,8,8a-hexahydronaphthalen-1-ol
SMILESC=C1CC2C(C=C1CO)[C@H](C(C)C)CC[C@]2(C)O
InChIInChI=1S/C16H26O2/c1-10(2)13-5-6-16(4,18)15-7-11(3)12(9-17)8-14(13)15/h8,10,13-15,17-18H,3,5-7,9H2,1-2,4H3/t13-,14?,15?,16-/m0/s1
InChIKeyFUOFLPVLQDIJPD-LBDPXKHJSA-N
XLogP2.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4aS,5R,8R,8aR)-8-hydroxy-3-(hydroxymethyl)-8-methyl-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
CID 102401772
(1S,4S,4aR,8aS)-6-(hydroxymethyl)-1-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 25195166
8-hydroxy-3,8-dimethyl-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
CID 73190634
(1S,4R,4aS,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 11990360
(4S)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 6428325
(1S,4S,4aR,7R,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalene-1,7-diol
CID 44566715
5-hydroxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalene-2-carbaldehyde
CID 73198139
(4aR,5S,8S,8aR)-5-hydroxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalene-2-carbaldehyde
CID 101381938
(1S,4S,4aS,8aS)-1-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 163034278
4,4,7-trimethyl-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
CID 72512205
(1S,4R)-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4,8-triol
CID 146157343
(1S,3aR,4R,7S,7aS)-4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroindene-1-carbaldehyde
CID 163049287

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-6-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-2,3,4,4a,8,8a-hexahydronaphthalen-1-ol?
The IUPAC name of (1S,4S)-6-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-2,3,4,4a,8,8a-hexahydronaphthalen-1-ol (CID 162821030) is (1S,4S)-6-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-2,3,4,4a,8,8a-hexahydronaphthalen-1-ol.
What is the SMILES notation for (1S,4S)-6-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-2,3,4,4a,8,8a-hexahydronaphthalen-1-ol?
The canonical SMILES for (1S,4S)-6-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-2,3,4,4a,8,8a-hexahydronaphthalen-1-ol is C=C1CC2C(C=C1CO)[C@H](C(C)C)CC[C@]2(C)O.
What is the InChIKey of (1S,4S)-6-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-2,3,4,4a,8,8a-hexahydronaphthalen-1-ol?
The InChIKey is FUOFLPVLQDIJPD-LBDPXKHJSA-N. The full InChI is InChI=1S/C16H26O2/c1-10(2)13-5-6-16(4,18)15-7-11(3)12(9-17)8-14(13)15/h8,10,13-15,17-18H,3,5-7,9H2,1-2,4H3/t13-,14?,15?,16-/m0/s1.
What are the key properties of (1S,4S)-6-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-2,3,4,4a,8,8a-hexahydronaphthalen-1-ol?
(1S,4S)-6-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-2,3,4,4a,8,8a-hexahydronaphthalen-1-ol has a molecular weight of 250.38 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-6-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-2,3,4,4a,8,8a-hexahydronaphthalen-1-ol is sourced from PubChem (CID 162821030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).